Molecule

ID:128888

General Information
Structure
MolImage
Molecular Formula
C₇H₆O₃
Molecular Mass
138.12074
Exact Mass
138.03169405
Charge
0
InChI
InChI=1S/C7H6O3/c8-7(10-9)6-4-2-1-3-5-6/h1-5,9H
InChIKey
XCRBXWCUXJNEFX-UHFFFAOYSA-N
Canonic Smiles
OOC(=O)c1ccccc1
Isomeric Smiles
OOC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
7.4618993
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7451694
LogD (pH = 7.4)
1.4802629
Log P
1.7498649
Molar Refractivity
34.9512
Polarizability
13.550499
Polar Surface Area
46.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
Molecule Details
References
Bioactivity
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